2-氯丙酸
TL;DR: 2-氯丙酸 (CAS 598-78-7) is a chemical compound with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯丙酸
2-chloropropanoic acid
Also Known As: 2-Chloropropionic acid, 2-CHLOROPROPANOIC ACID, Propanoic acid, 2-chloro-, alpha-Chloropropionic acid, Propionic acid, 2-chloro-
| Molecular Formula | C3H5ClO2 |
|---|---|
| Molecular Weight | 108.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.99781 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
| Melting Point | -12.1 °C |
| Boiling Point | 185.6 °C at 760 mmHg |
| Density | 1.2585 at 20.0 °C |
| Solubility | SOL IN ALL PROP IN WATER, ALC, ETHER; SOL IN ACETONE |
| Flash Point | 107.2 °C |
| Vapor Pressure | 1.06 [mmHg] |
| Refractive Index | 1.4380 @ 20 °C |
Chemical Identifiers
| CAS Number | 598-78-7 |
|---|---|
| SMILES | CC(C(=O)O)Cl |
| InChIKey | GAWAYYRQGQZKCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯丙酸 (CAS 598-78-7), with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol. IUPAC: 2-chloropropanoic acid.
Chemical Property Profile of 2-氯丙酸
Property Insights of 2-氯丙酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯丙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-氯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯丙酸 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-氯丙酸?
The CAS number of 2-氯丙酸 is 598-78-7.
What is the molecular formula of 2-氯丙酸?
The molecular formula of 2-氯丙酸 is C3H5ClO2.
What is the molecular weight of 2-氯丙酸?
The molecular weight of 2-氯丙酸 is 108.00 g/mol.
Where can I buy 2-氯丙酸?
You can request a quote for 2-氯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.